6-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-[4-(hydroxymethyl)-1-piperidyl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-[4-(hydroxymethyl)-1-piperidinyl]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-(4-methylolpiperidino)-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)N3CCC(CC3)CO

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)N3CCC(CC3)CO

InChI

InChI=1S/C20H32N4O2/c1-23-11-3-2-4-18(23)7-10-21-20(26)17-5-6-19(22-14-17)24-12-8-16(15-25)9-13-24/h5-6,14,16,18,25H,2-4,7-13,15H2,1H3,(H,21,26)/p+1/t18-/m0/s1